COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.579  -4.819  -1.865  1.00  0.00           O  
HETATM    2  P   UNL     1      -2.154  -3.969  -0.565  1.00  0.00           P  
HETATM    3  O   UNL     1      -1.988  -4.882   0.589  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.300  -2.888  -0.233  1.00  0.00           O  
HETATM    5  P   UNL     1      -4.727  -2.963   0.509  1.00  0.00           P  
HETATM    6  O   UNL     1      -5.223  -1.474   0.868  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.407  -1.209   1.623  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.585   0.302   1.780  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.925   0.904   0.512  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.539   2.168   0.843  1.00  0.00           C  
HETATM   11  N   UNL     1      -8.354   2.648  -0.276  1.00  0.00           N  
HETATM   12  C   UNL     1      -8.908   1.880  -1.257  1.00  0.00           C  
HETATM   13  N   UNL     1      -9.568   2.632  -2.090  1.00  0.00           N  
HETATM   14  C   UNL     1      -9.481   3.925  -1.696  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.977   5.144  -2.190  1.00  0.00           C  
HETATM   16  N   UNL     1     -10.752   5.181  -3.336  1.00  0.00           N  
HETATM   17  N   UNL     1      -9.686   6.260  -1.530  1.00  0.00           N  
HETATM   18  C   UNL     1      -8.948   6.234  -0.435  1.00  0.00           C  
HETATM   19  N   UNL     1      -8.462   5.117   0.064  1.00  0.00           N  
HETATM   20  C   UNL     1      -8.706   3.950  -0.525  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.431   1.866   2.068  1.00  0.00           C  
HETATM   22  O   UNL     1      -8.404   2.958   2.988  1.00  0.00           O  
HETATM   23  C   UNL     1      -7.788   0.610   2.698  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.346   0.888   4.028  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.595  -3.752   1.754  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.800  -3.667  -0.462  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.764  -3.208  -0.851  1.00  0.00           O  
HETATM   28  C   UNL     1       0.468  -3.896  -1.074  1.00  0.00           C  
HETATM   29  C   UNL     1       1.584  -2.878  -1.314  1.00  0.00           C  
HETATM   30  C   UNL     1       2.893  -3.609  -1.671  1.00  0.00           C  
HETATM   31  O   UNL     1       3.398  -3.146  -2.926  1.00  0.00           O  
HETATM   32  C   UNL     1       3.863  -3.233  -0.525  1.00  0.00           C  
HETATM   33  C   UNL     1       2.886  -2.806   0.600  1.00  0.00           C  
HETATM   34  O   UNL     1       1.826  -2.126  -0.113  1.00  0.00           O  
HETATM   35  S   UNL     1       3.703  -1.674   1.759  1.00  0.00           S  
HETATM   36  O   UNL     1       4.708  -2.146  -0.908  1.00  0.00           O  
HETATM   37  C   UNL     1       5.994  -2.162  -0.284  1.00  0.00           C  
HETATM   38  C   UNL     1       6.808  -0.959  -0.765  1.00  0.00           C  
HETATM   39  C   UNL     1       8.185  -0.976  -0.097  1.00  0.00           C  
HETATM   40  C   UNL     1       9.000   0.226  -0.578  1.00  0.00           C  
HETATM   41  C   UNL     1      10.377   0.209   0.090  1.00  0.00           C  
HETATM   42  C   UNL     1      11.191   1.412  -0.391  1.00  0.00           C  
HETATM   43  C   UNL     1      12.568   1.395   0.276  1.00  0.00           C  
HETATM   44  C   UNL     1      13.383   2.597  -0.204  1.00  0.00           C  
HETATM   45  C   UNL     1      14.759   2.580   0.463  1.00  0.00           C  
HETATM   46  C   UNL     1      15.574   3.783  -0.017  1.00  0.00           C  
HETATM   47  C   UNL     1      16.951   3.766   0.650  1.00  0.00           C  
HETATM   48  C   UNL     1      17.765   4.968   0.170  1.00  0.00           C  
HETATM   49  C   UNL     1      19.142   4.951   0.837  1.00  0.00           C  
HETATM   50  H   UNL     1      -2.705  -4.284  -2.660  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.271  -1.624   1.102  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.321  -1.669   2.607  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.676   0.750   2.183  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.777   2.905   1.099  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.812   0.807  -1.333  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.958   4.359  -3.809  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.088   6.028  -3.667  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.735   7.164   0.071  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.453   1.657   1.753  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.947   2.821   3.777  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.493  -0.222   2.696  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.061   1.089   4.647  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.937  -3.203  -1.299  1.00  0.00           H  
HETATM   64  H   UNL     1       0.710  -4.501  -0.200  1.00  0.00           H  
HETATM   65  H   UNL     1       0.371  -4.541  -1.947  1.00  0.00           H  
HETATM   66  H   UNL     1       1.303  -2.203  -2.123  1.00  0.00           H  
HETATM   67  H   UNL     1       2.732  -4.686  -1.700  1.00  0.00           H  
HETATM   68  H   UNL     1       2.802  -3.303  -3.671  1.00  0.00           H  
HETATM   69  H   UNL     1       4.456  -4.095  -0.219  1.00  0.00           H  
HETATM   70  H   UNL     1       2.498  -3.679   1.124  1.00  0.00           H  
HETATM   71  H   UNL     1       2.735  -1.407   2.654  1.00  0.00           H  
HETATM   72  H   UNL     1       5.874  -2.110   0.798  1.00  0.00           H  
HETATM   73  H   UNL     1       6.514  -3.082  -0.549  1.00  0.00           H  
HETATM   74  H   UNL     1       6.929  -1.011  -1.847  1.00  0.00           H  
HETATM   75  H   UNL     1       6.288  -0.039  -0.501  1.00  0.00           H  
HETATM   76  H   UNL     1       8.065  -0.925   0.985  1.00  0.00           H  
HETATM   77  H   UNL     1       8.706  -1.897  -0.362  1.00  0.00           H  
HETATM   78  H   UNL     1       9.120   0.175  -1.660  1.00  0.00           H  
HETATM   79  H   UNL     1       8.479   1.147  -0.314  1.00  0.00           H  
HETATM   80  H   UNL     1      10.256   0.261   1.172  1.00  0.00           H  
HETATM   81  H   UNL     1      10.897  -0.711  -0.175  1.00  0.00           H  
HETATM   82  H   UNL     1      11.311   1.360  -1.473  1.00  0.00           H  
HETATM   83  H   UNL     1      10.671   2.332  -0.127  1.00  0.00           H  
HETATM   84  H   UNL     1      12.448   1.446   1.359  1.00  0.00           H  
HETATM   85  H   UNL     1      13.088   0.474   0.012  1.00  0.00           H  
HETATM   86  H   UNL     1      13.503   2.546  -1.286  1.00  0.00           H  
HETATM   87  H   UNL     1      12.862   3.518   0.060  1.00  0.00           H  
HETATM   88  H   UNL     1      14.639   2.632   1.546  1.00  0.00           H  
HETATM   89  H   UNL     1      15.280   1.660   0.199  1.00  0.00           H  
HETATM   90  H   UNL     1      15.694   3.731  -1.099  1.00  0.00           H  
HETATM   91  H   UNL     1      15.053   4.703   0.247  1.00  0.00           H  
HETATM   92  H   UNL     1      16.830   3.817   1.732  1.00  0.00           H  
HETATM   93  H   UNL     1      17.471   2.845   0.386  1.00  0.00           H  
HETATM   94  H   UNL     1      17.885   4.917  -0.912  1.00  0.00           H  
HETATM   95  H   UNL     1      17.245   5.889   0.434  1.00  0.00           H  
HETATM   96  H   UNL     1      19.722   5.808   0.495  1.00  0.00           H  
HETATM   97  H   UNL     1      19.022   5.003   1.919  1.00  0.00           H  
HETATM   98  H   UNL     1      19.662   4.031   0.573  1.00  0.00           H  
CONECT    1    2   50                                                 
CONECT    2   27    4    3    3                                       
CONECT    2    1                                                      
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5   25   25   26    4                                       
CONECT    5    6                                                      
CONECT    6    5    7                                                 
CONECT    7    6    8   51   52                                       
CONECT    8    7   23    9   53                                       
CONECT    9    8   10                                                 
CONECT   10    9   21   11   54                                       
CONECT   11   12   10   20                                            
CONECT   12   13   13   11   55                                       
CONECT   13   12   12   14                                            
CONECT   14   13   20   20   15                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   56   57                                            
CONECT   17   15   15   18                                            
CONECT   18   19   19   17   58                                       
CONECT   19   20   18   18                                            
CONECT   20   11   14   14   19                                       
CONECT   21   23   10   22   59                                       
CONECT   22   21   60                                                 
CONECT   23    8   21   24   61                                       
CONECT   24   23   62                                                 
CONECT   25    5    5                                                 
CONECT   26    5   63                                                 
CONECT   27   28    2                                                 
CONECT   28   29   27   64   65                                       
CONECT   29   34   30   28   66                                       
CONECT   30   32   29   31   67                                       
CONECT   31   30   68                                                 
CONECT   32   36   33   30   69                                       
CONECT   33   35   32   34   70                                       
CONECT   34   33   29                                                 
CONECT   35   33   71                                                 
CONECT   36   37   32                                                 
CONECT   37   38   36   72   73                                       
CONECT   38   39   37   74   75                                       
CONECT   39   40   38   76   77                                       
CONECT   40   41   39   78   79                                       
CONECT   41   42   40   80   81                                       
CONECT   42   43   41   82   83                                       
CONECT   43   44   42   84   85                                       
CONECT   44   43   45   86   87                                       
CONECT   45   44   46   88   89                                       
CONECT   46   45   47   90   91                                       
CONECT   47   46   48   92   93                                       
CONECT   48   47   49   94   95                                       
CONECT   49   48   96   97   98                                       
CONECT   50    1                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   48                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
